GL6
概要
| 表記: | N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine |
| 別名: | (3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER N-(dimethoxyphosphoryl)-beta-D-glucosylamine; N-(dimethoxyphosphoryl)-D-glucosylamine; N-(dimethoxyphosphoryl)-glucosylamine |
| 組成式: | C8 H18 N O8 P |
| 電荷: | 0 |
| 化学式量: | 287.204 Da |
| 分子種別: | D-saccharide |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5S,6R)-2-(dimethoxyphosphorylamino)-6-(hydroxymethyl)oxane-3,4,5-triol |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=P(OC)(OC)NC1OC(C(O)C(O)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[P](=O)(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC |
| SMILES | CACTVS | 3.341 | CO[P](=O)(N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COP(=O)(N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | COP(=O)(NC1C(C(C(C(O1)CO)O)O)O)OC |
| InChI | InChI | 1.03 | InChI=1S/C8H18NO8P/c1-15-18(14,16-2)9-8-7(13)6(12)5(11)4(3-10)17-8/h4-8,10-13H,3H2,1-2H3,(H,9,14)/t4-,5-,6+,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | LJBUJRWZZYUNKX-JAJWTYFOSA-N |
